2-(2-methylphenyl)-N-[4-methylsulfanyl-1-oxidanylidene-1-(phenylsulfonylamino)butan-2-yl]-4-(pyridin-3-ylsulfanylmethyl)benzamide

Systemtic Name: 2-(2-methylphenyl)-N-[4-methylsulfanyl-1-oxidanylidene-1-(phenylsulfonylamino)butan-2-yl]-4-(pyridin-3-ylsulfanylmethyl)benzamide Openeye Name: N-[1-(benzenesulfonylcarbamoyl)-3-methylsulfanyl-propyl]-2-(o-tolyl)-4-(3-pyridylsulfanylmethyl)benzamide CAS Name: N-[1-(benzenesulfonamido)-4-(methylthio)-1-oxobutan-2-yl]-2-(2-methylphenyl)-4-[(3-pyridinylthio)methyl]benzamide IUPAC Name: N-[1-(benzenesulfonamido)-4-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylphenyl)-4-(pyridin-3-ylsulfanylmethyl)benzamide Traditional Name: N-[1-(besylcarbamoyl)-3-(methylthio)propyl]-2-(o-tolyl)-4-[(3-pyridylthio)methyl]benzamide Formula: C31H31N3O4S3 MolecularWeight: 605.79054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CSC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CSC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H31N3O4S3/c1-22-9-6-7-13-26(22)28-19-23(21-40-24-10-8-17-32-20-24)14-15-27(28)30(35)33-29(16-18-39-2)31(36)34-41(37,38)25-11-4-3-5-12-25/h3-15,17,19-20,29H,16,18,21H2,1-2H3,(H,33,35)(H,34,36)